SCHEMBL4627448

SCHEMBL4627448

CCOC(=O)c1cc(CC)c(C)c(CCCC(C)C)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4627808 0.91 TSHR (0.41) ALDH1A1TSHRMAPK1TP53LMNA
SCHEMBL4627365 0.90 TSHR (0.36) ALDH1A1TSHRGRIN2DGRIN2AGRIN2B
SCHEMBL4627422 0.88 PDE3B (0.37) ALDH1A1TSHRGRIN2DGRIN2AGRIN2B
SCHEMBL4628675 0.88 ALOX15 (0.37) ALDH1A1TSHRGRIN2DGRIN2AGRIN2B
SCHEMBL4626441 0.87 ALDH1A1 (0.39) ALDH1A1TSHRPDE3BPDE3AMAPK1
SCHEMBL4626737 0.86 KDM4E (0.36) ALDH1A1TSHRGRIN2DGRIN2AGRIN2B
SCHEMBL4628048 0.86 ALOX15 (0.38) ALDH1A1TSHRGRIN2DGRIN2AGRIN2B
SCHEMBL4627998 0.86 ALDH1A1 (0.42) ALDH1A1TSHRPDE3BPDE3AMAPK1
SCHEMBL4625772 0.85 GRIN2D (0.38) ALDH1A1TSHRGRIN2DGRIN2AGRIN2B
SCHEMBL4628649 0.84 TSHR (0.40) ALDH1A1TSHRGRIN2DGRIN2AGRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209172-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2008-07-02 EP disclosed
US-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US disclosed
US-20030130109-A1 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD (JP) 2003-07-10 US disclosed
EP-1209172-A1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION Toho Titanium Co., Ltd. (JP) 2002-05-29 EP disclosed